[3-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,6-diisopropylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[[2,6-di(propan-2-yl)anilino]-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,6-diisopropylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C25H36N2O4S MolecularWeight: 460.62934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C25H36N2O4S/c1-8-32(29,30)31-21-12-9-11-20(15-21)16-27(19(6)7)25(28)26-24-22(17(2)3)13-10-14-23(24)18(4)5/h9-15,17-19H,8,16H2,1-7H3,(H,26,28)